Chemical Properties of Phloroglucinol, isoBOC

Phloroglucinol, isoBOC

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InChI
InChI=1S/C21H30O9/c1-13(2)10-25-19(22)28-16-7-17(29-20(23)26-11-14(3)4)9-18(8-16)30-21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3
InChI Key
CLRHENLHECCSDP-UHFFFAOYSA-N
Formula
C21H30O9
SMILES
CC(C)COC(=O)Oc1cc(OC(=O)OCC(C)C)cc(OC(=O)OCC(C)C)c1
Molecular Weight1
426.46
Sources

Physical Properties

Property Value Unit Source
Δf -804.99 kJ/mol Joback Calculated Property
Δfgas -1410.08 kJ/mol Joback Calculated Property
Δfus 44.77 kJ/mol Joback Calculated Property
Δvap 99.47 kJ/mol Joback Calculated Property
logPoct/wat 5.201 Crippen Calculated Property
Pc 1255.70 kPa Joback Calculated Property
Tboil 1011.33 K Joback Calculated Property
Tc 1238.29 K Joback Calculated Property
Tfus 616.06 K Joback Calculated Property
Vc 1.212 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1061.33 J/mol×K 1011.33 Joback Calculated Property
η 0.0000104 Pa×s 1011.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 6
>CH- 3
-CH3 6
=CH- (ring) 3
=C< (ring) 3
-CH2- 3
>C=O (nonring) 3

Similar Compounds

Carbonic acid, isobutyl phenyl ester. Carbonic acid, neopentyl phenyl ester. Orcinol, isoBOC. Carbonic acid, isobutyl 4-methoxyphenyl ester. Hydroquinone, isoBOC. Carbonic acid, neopentyl 4-methoxyphenyl ester. Carbonic acid, propyl 4-methoxyphenyl ester. Carbonic acid, butyl phenyl ester. p-Cresol, isoBOC. 4-Iodophenol, isoBOC. Carbonic acid, ethyl phenyl ester. 4-Bromophenol, isoBOC. 2-Methylresorcinol, isoBOC. 4-Chlorophenol, isoBOC. Carbonic acid, butyl 4-methoxyphenyl ester.

Find more compounds similar to Phloroglucinol, isoBOC.

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